General Information of the Compound
| Compound ID |
CP0524074
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-{[bis-(2-methoxy-ethyl)-carbamoyl]-methyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H34N2O8
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| Molecular Weight |
514.575
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| Canonical SMILES |
COCCN(CCOC)C(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H34N2O8/c1-33-12-10-28(11-13-34-2)24(30)16-29-15-21(19-6-9-22-23(14-19)37-17-36-22)25(27(31)32)26(29)18-4-7-20(35-3)8-5-18/h4-9,14,21,25-26H,10-13,15-17H2,1-3H3,(H,31,32)/t21-,25-,26+/m0/s1
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| InChIKey |
IUCSLVHAYYXGPT-OUIFVKKZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound